1-(2-methoxyethoxy)propane;2-N-(4-methylphenyl)-2-N-phenylbenzene-1,2-diamine

C25H32N2O2 — CID 145096350

IUPAC1-(2-methoxyethoxy)propane;2-N-(4-methylphenyl)-2-N-phenylbenzene-1,2-diamine
SMILESCCCOCCOC.Cc1ccc(N(c2ccccc2)c2ccccc2N)cc1
InChIInChI=1S/C19H18N2.C6H14O2/c1-15-11-13-17(14-12-15)21(16-7-3-2-4-8-16)19-10-6-5-9-18(19)20;1-3-4-8-6-5-7-2/h2-14H,20H2,1H3;3-6H2,1-2H3
InChIKeyWOPZMALVUWFZBM-UHFFFAOYSA-N
MW392.54 g/mol
LogP6.11
Rot. Bonds8

About 1-(2-methoxyethoxy)propane;2-N-(4-methylphenyl)-2-N-phenylbenzene-1,2-diamine

1-(2-methoxyethoxy)propane;2-N-(4-methylphenyl)-2-N-phenylbenzene-1,2-diamine (PubChem CID 145096350) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)propane;2-N-(4-methylphenyl)-2-N-phenylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-(2-methoxyethoxy)propane;2-N-(4-methylphenyl)-2-N-phenylbenzene-1,2-diamine
PubChem CID145096350
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name1-(2-methoxyethoxy)propane;2-N-(4-methylphenyl)-2-N-phenylbenzene-1,2-diamine
SMILESCCCOCCOC.Cc1ccc(N(c2ccccc2)c2ccccc2N)cc1
InChIInChI=1S/C19H18N2.C6H14O2/c1-15-11-13-17(14-12-15)21(16-7-3-2-4-8-16)19-10-6-5-9-18(19)20;1-3-4-8-6-5-7-2/h2-14H,20H2,1H3;3-6H2,1-2H3
InChIKeyWOPZMALVUWFZBM-UHFFFAOYSA-N
XLogP6.11
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.54
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-N-[3-(2-methoxyethoxy)propyl]-2-N-propylbenzene-1,2-diamine
CID 103410200
2-(2-methoxyethoxy)-N,N-bis[2-(2-methoxyethoxy)ethyl]ethanamine;toluene
CID 118437277
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-(4-methyl-N-(4-methylphenyl)anilino)benzoic acid
CID 90352014
N,N-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]aniline
CID 169196905
2-bromo-N-(4-methylphenyl)-N-phenylaniline
CID 138413970
2-iodo-N-(4-methylphenyl)-N-phenylaniline
CID 139772467
ethane;tris(4-methyl-N,N-diphenylaniline)
CID 159159918
1,2-dimethoxyethane;toluene;hydrate
CID 131731093
1-methoxy-2-(2-methoxyethoxy)ethane;1-propoxypropane
CID 160614249
1-N-methyl-1-N,4-N-bis(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine
CID 59431689
1-N-methyl-4-N-[4-(N-(4-methylphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 58038448
4-methyl-2-(2-propoxyethoxy)aniline
CID 26189548

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)propane;2-N-(4-methylphenyl)-2-N-phenylbenzene-1,2-diamine?
The IUPAC name of 1-(2-methoxyethoxy)propane;2-N-(4-methylphenyl)-2-N-phenylbenzene-1,2-diamine (CID 145096350) is 1-(2-methoxyethoxy)propane;2-N-(4-methylphenyl)-2-N-phenylbenzene-1,2-diamine.
What is the SMILES notation for 1-(2-methoxyethoxy)propane;2-N-(4-methylphenyl)-2-N-phenylbenzene-1,2-diamine?
The canonical SMILES for 1-(2-methoxyethoxy)propane;2-N-(4-methylphenyl)-2-N-phenylbenzene-1,2-diamine is CCCOCCOC.Cc1ccc(N(c2ccccc2)c2ccccc2N)cc1.
What is the InChIKey of 1-(2-methoxyethoxy)propane;2-N-(4-methylphenyl)-2-N-phenylbenzene-1,2-diamine?
The InChIKey is WOPZMALVUWFZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2.C6H14O2/c1-15-11-13-17(14-12-15)21(16-7-3-2-4-8-16)19-10-6-5-9-18(19)20;1-3-4-8-6-5-7-2/h2-14H,20H2,1H3;3-6H2,1-2H3.
What are the key properties of 1-(2-methoxyethoxy)propane;2-N-(4-methylphenyl)-2-N-phenylbenzene-1,2-diamine?
1-(2-methoxyethoxy)propane;2-N-(4-methylphenyl)-2-N-phenylbenzene-1,2-diamine has a molecular weight of 392.54 g/mol, XLogP of 6.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)propane;2-N-(4-methylphenyl)-2-N-phenylbenzene-1,2-diamine is sourced from PubChem (CID 145096350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).